methyl 3-[(2-methylphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[(2-methylphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(2-methylbenzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(2-methylbenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 4-morpholino-3-(o-toluoylthiocarbamoylamino)benzoic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

InChI

InChI=1S/C21H23N3O4S/c1-14-5-3-4-6-16(14)19(25)23-21(29)22-17-13-15(20(26)27-2)7-8-18(17)24-9-11-28-12-10-24/h3-8,13H,9-12H2,1-2H3,(H2,22,23,25,29)